UCSF

ZINC49441782

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.27 8.33 -9.77 0 3 0 29 269.373 3
Lo Low (pH 4.5-6) 3.27 8.79 -39.59 1 3 1 30 270.381 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )